N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine

C16H29N — CID 123818973

IUPACN-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine
SMILESC=NC=C(C)C=C(C)CC(CCC)CCCC
InChIInChI=1S/C16H29N/c1-6-8-10-16(9-7-2)12-14(3)11-15(4)13-17-5/h11,13,16H,5-10,12H2,1-4H3
InChIKeyHSOXNNLIIBXKDY-UHFFFAOYSA-N
MW235.41 g/mol
LogP5.53
Rot. Bonds9

About N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine

N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine (PubChem CID 123818973) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine
PubChem CID123818973
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine
SMILESC=NC=C(C)C=C(C)CC(CCC)CCCC
InChIInChI=1S/C16H29N/c1-6-8-10-16(9-7-2)12-14(3)11-15(4)13-17-5/h11,13,16H,5-10,12H2,1-4H3
InChIKeyHSOXNNLIIBXKDY-UHFFFAOYSA-N
XLogP5.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z,6Z)-7-fluoro-2,3,6-trimethylundeca-1,6,10-trienyl]methanimine
CID 146577720
N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine
CID 167004090
N-[2-[1-(2-prop-1-enylcyclopropyl)propan-2-yl]pent-1-enyl]methanimine
CID 91209535
N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
CID 91443092
N-(4,7-dimethylocta-1,3-dienyl)methanimine
CID 91592171
N-[2-(2-methylpropyl)-3-propylhexa-1,3-dienyl]methanimine
CID 123838975
(E)-N,3-bis(ethenyl)-4-hexyldec-2-en-1-imine
CID 126626433
(E)-N,3-bis(ethenyl)-4-pentyldec-2-en-1-imine
CID 126626559
N-[(Z,3Z)-4-ethyl-3-ethylidene-5-methylhex-1-enyl]methanimine
CID 129153529
3,4-Di(propan-2-yl)-1-azacyclohepta-2,4,6,7-tetraene
CID 129274019
N-[(1Z,3Z)-2-methyl-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 130269458
N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine
CID 130346378

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine?
The IUPAC name of N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine (CID 123818973) is N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine.
What is the SMILES notation for N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine?
The canonical SMILES for N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine is C=NC=C(C)C=C(C)CC(CCC)CCCC.
What is the InChIKey of N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine?
The InChIKey is HSOXNNLIIBXKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-6-8-10-16(9-7-2)12-14(3)11-15(4)13-17-5/h11,13,16H,5-10,12H2,1-4H3.
What are the key properties of N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine?
N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine has a molecular weight of 235.41 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-propyldeca-1,3-dienyl)methanimine is sourced from PubChem (CID 123818973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).